SCHEMBL5452709

SCHEMBL5452709

Cn1c(=O)n(CCN2CCCC2)c(=O)c2nc(-c3ccccc3)c(Cl)nc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.59
KDM4E B2RXH2 6/20 0.59
HPGD P15428 5/20 0.59
GLA P06280 1/20 0.59
GAA P10253 1/20 0.59
TLR9 Q9NR96 2/20 0.43
HTT P42858 2/20 0.40
DCTPP1 Q9H773 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
TSHR P16473 8/20 0.39
CYP3A4 P08684 4/20 0.39
HSD17B10 Q99714 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALOX15 P16050 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
USP2 O75604 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5435794 0.99 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL5445092 0.92 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL5437071 0.84 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL5437131 0.83 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL5452955 0.83 ALDH1A1 (0.65) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL5452939 0.80 KDM4E (0.89) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL5454828 0.79 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL5452936 0.77 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL5440125 0.76 HPGD (0.65) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL5442804 0.76 LMNA (0.56) ALDH1A1KDM4EHPGDGLAGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636232-A2 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA Bioscience nv (BE) 2006-03-22 EP claimed
WO-2004104005-A2 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA BIOSCIENCE NV (BE) 2004-12-02 WO claimed
US-20070043000-A1 Immunosuppresive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2007-02-22 US disclosed
EP-1636232-A2 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA Bioscience nv (BE) 2006-03-22 EP disclosed
WO-2004104005-A2 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA BIOSCIENCE NV (BE) 2004-12-02 WO disclosed
EP-1479682-A1 Immunosuppressive effects of pteridine derivatives 4 AZA Bioscience nv (BE) 2004-11-24 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070043000-A1 Immunosuppresive effects of pteridine derivatives TPMT, FKBP5, RRP15 ALDH1A1 1767/4885KDM4E 1686/4885HPGD 1339/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.